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Compound Detail

CHEMBL5813297

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CC(C)(C)c1ccc(C(=O)NC2=C(C(=O)O)C3CCCCCC3S2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5813297
Phase Preclinical
Structure Type MOL
InChI Key GKLNSWVLEIAFJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.71
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO3S
MW 373.52
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL4109
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2C IC50 = 19000.0 nM 4.72 Cell-Based Assay: The assay involves using a cell line that expresses the NR1 su... -

Data from ChEMBL 36 via Core Engine